SOLARIA: A protocol for automated cross-peak assignment and structure calculation for solid-state magic-angle spinning NMR spectroscopy

被引：21

作者：

Fossi, M

Castellani, T

Nilges, M

Oschkinat, H

van Rossum, BJ

机构：

[1] Forschung Inst Mol Pharmakol, Berlin, Germany

[2] Inst Pasteur, F-75015 Paris, France

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 38期

关键词：

computer chemistry; NMR spectroscopy; proteins; solid-state structures; structure elucidation;

D O I：

10.1002/anie.200501884

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) The liquid-solid transition: Automatic assignment of solid-state NMR data as well as fast and accurate calculation of the structure of immobilized proteins at atomic resolution can be achieved by using the program SOLARIA (a modification of the ARIA protocol). The picture shows the lowest energy structures of the α-spectrin SH3 domain calculated by SOLARIA (blue) overlaid with the X-ray crystal structure (red). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：6151 / 6154

页数：4

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